(Z)-3-(3-Fluoro-phenylamino)-2-(2,3,4,5-tetrafluoro-benzoyl)-acrylic acid ethyl ester | 106809-36-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (Z)-3-(3-Fluoro-phenylamino)-2-(2,3,4,5-tetrafluoro-benzoyl)-acrylic acid ethyl ester
• CAS: 106809-36-3
• 化学式: C₁₈H₁₂F₅NO₃
• 分子量: 385.29
• InChiKey: QHHDZQFFWRWAOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.12
• 重原子数：
  27.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  55.4
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (Z)-3-(3-Fluoro-phenylamino)-2-(2,3,4,5-tetrafluoro-benzoyl)-acrylic acid ethyl ester 在 N-甲基吗啉 、 盐酸 、 potassium carbonate 、 溶剂黄146 作用下， 以 乙醇 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 6,8-Difluoro-1-(3-fluoro-phenyl)-7-((R)-3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid; hydrochloride
  参考文献：
  名称：

  Syntheses of quinolone hydrochloride enantiomers from synthons (R)- and (S)-2-methylpiperazine

  摘要：

  A series of R and S enantiomers of 7-(3-methylpiperazin-l-yl) quinolone derivatives were synthesized from (R)- and (S)tert-butyl 2-methylpiperazine-l-carboxylate and tested for their antibacterial activities on 14 kinds of bacteria. Although no distinct difference in in vitro antibacterial activities was observed, 2-64-fold difference between R and S enantiomers was observed in approximately 52% of cases. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.01.032
• 作为产物：
  描述：

  左氧氟单酯 在 乙酸酐 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 (Z)-3-(3-Fluoro-phenylamino)-2-(2,3,4,5-tetrafluoro-benzoyl)-acrylic acid ethyl ester
  参考文献：
  名称：

  Syntheses of quinolone hydrochloride enantiomers from synthons (R)- and (S)-2-methylpiperazine

  摘要：

  A series of R and S enantiomers of 7-(3-methylpiperazin-l-yl) quinolone derivatives were synthesized from (R)- and (S)tert-butyl 2-methylpiperazine-l-carboxylate and tested for their antibacterial activities on 14 kinds of bacteria. Although no distinct difference in in vitro antibacterial activities was observed, 2-64-fold difference between R and S enantiomers was observed in approximately 52% of cases. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.01.032